(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: (2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: (2S)-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: (2S)-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: (2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: (2S)-1-[(3S,5S)-3,5-dimethylpiperidino]-2-phenyl-2-(phenylthio)ethanone Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C21H25NOS/c1-16-13-17(2)15-22(14-16)21(23)20(18-9-5-3-6-10-18)24-19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3/t16-,17-,20-/m0/s1